==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-MAY-09 3HAS . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR N.H.JOH,D.YANG,J.U.BOWIE . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 88.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A G 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.0 -7.7 -18.7 -18.8 2 7 A R > - 0 0 96 1,-0.1 3,-2.6 2,-0.0 4,-0.3 -0.537 360.0-123.9 -71.4 136.3 -10.1 -16.1 -17.5 3 8 A P T > S+ 0 0 85 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.771 109.3 61.5 -58.5 -27.4 -8.2 -13.1 -15.9 4 9 A E T >> S+ 0 0 1 1,-0.2 4,-1.6 2,-0.1 3,-1.1 0.537 76.8 95.3 -71.4 -6.3 -10.1 -13.5 -12.6 5 10 A W H <> S+ 0 0 127 -3,-2.6 4,-3.0 1,-0.3 -1,-0.2 0.866 74.9 62.3 -56.3 -36.5 -8.7 -17.1 -12.2 6 11 A I H <> S+ 0 0 80 -3,-0.8 4,-2.0 -4,-0.3 -1,-0.3 0.857 105.9 43.8 -57.3 -38.1 -5.9 -15.8 -10.0 7 12 A W H <> S+ 0 0 69 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.808 111.7 53.5 -80.3 -32.1 -8.3 -14.6 -7.3 8 13 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.904 110.6 48.5 -63.5 -42.4 -10.4 -17.8 -7.6 9 14 A A H X S+ 0 0 27 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.921 113.4 45.4 -61.9 -45.7 -7.1 -19.7 -7.0 10 15 A L H X S+ 0 0 68 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.884 113.0 51.1 -68.0 -38.1 -6.1 -17.6 -4.0 11 16 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.903 109.7 50.9 -62.7 -42.0 -9.7 -17.9 -2.6 12 17 A T H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.942 111.9 46.7 -59.7 -50.4 -9.5 -21.6 -3.0 13 18 A A H X S+ 0 0 46 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.911 114.7 46.3 -56.2 -50.1 -6.2 -21.8 -1.1 14 19 A L H X S+ 0 0 64 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 115.0 44.6 -66.2 -41.5 -7.4 -19.5 1.7 15 20 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.885 114.9 50.8 -68.4 -40.0 -10.7 -21.3 2.2 16 21 A G H X S+ 0 0 14 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.935 113.1 43.1 -60.6 -50.7 -8.9 -24.7 2.0 17 22 A L H X S+ 0 0 115 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.893 113.5 53.0 -66.3 -41.1 -6.3 -23.8 4.6 18 23 A G H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.940 109.8 47.9 -57.4 -49.4 -8.9 -22.2 6.8 19 24 A T H X S+ 0 0 18 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.931 112.1 49.7 -56.1 -49.5 -11.1 -25.3 6.8 20 25 A L H X S+ 0 0 106 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 112.0 47.3 -58.0 -46.8 -8.1 -27.6 7.5 21 26 A Y H X S+ 0 0 126 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.920 113.5 47.3 -61.9 -45.0 -6.9 -25.4 10.5 22 27 A F H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.899 111.8 51.7 -66.0 -38.9 -10.4 -25.2 12.0 23 28 A L H X S+ 0 0 83 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.924 110.0 48.3 -61.7 -46.5 -10.9 -29.0 11.5 24 29 A V H X S+ 0 0 101 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.954 116.7 42.2 -60.7 -49.4 -7.6 -29.8 13.3 25 30 A K H X S+ 0 0 97 -4,-2.5 4,-0.8 1,-0.2 3,-0.5 0.921 115.6 50.2 -62.7 -42.9 -8.5 -27.4 16.2 26 31 A G H >< S+ 0 0 8 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.880 106.2 53.5 -65.8 -41.2 -12.1 -28.6 16.4 27 32 A M H 3< S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.729 106.7 55.5 -65.6 -24.1 -11.3 -32.3 16.4 28 33 A G H 3< S+ 0 0 67 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.718 90.1 91.0 -81.5 -22.4 -9.0 -31.7 19.4 29 34 A V << - 0 0 26 -4,-0.8 -3,-0.0 -3,-0.7 -4,-0.0 -0.479 48.0-176.0 -79.0 140.4 -11.6 -30.0 21.6 30 35 A S + 0 0 112 -2,-0.2 -1,-0.1 4,-0.0 5,-0.0 0.720 49.9 107.0-107.1 -24.9 -13.8 -32.0 24.0 31 36 A D > - 0 0 52 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.341 64.5-143.8 -55.0 120.0 -16.2 -29.4 25.4 32 37 A P H > S+ 0 0 84 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.878 97.1 49.9 -60.0 -41.1 -19.6 -30.2 23.8 33 38 A D H >> S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.952 112.5 46.9 -60.9 -48.5 -20.7 -26.5 23.4 34 39 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 107.3 59.0 -61.5 -36.0 -17.3 -25.6 21.8 35 40 A K H 3X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.851 101.5 54.0 -63.1 -34.7 -17.7 -28.6 19.5 36 41 A K H S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.762 113.9 63.4 -70.3 -18.6 -15.2 -22.3 4.6 46 51 A A H X S+ 0 0 30 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.941 106.7 42.5 -64.2 -45.4 -15.5 -26.0 3.6 47 52 A I H X S+ 0 0 27 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.927 115.1 50.4 -63.7 -46.3 -18.6 -25.1 1.4 48 53 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 5,-0.3 0.913 107.0 55.4 -60.2 -43.3 -16.8 -22.0 0.1 49 54 A F H X S+ 0 0 70 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.926 107.4 48.5 -53.7 -47.7 -13.7 -24.0 -0.8 50 55 A T H X S+ 0 0 68 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.879 114.5 45.4 -64.5 -34.9 -15.8 -26.4 -2.9 51 56 A M H X S+ 0 0 39 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.902 113.7 47.7 -77.6 -39.4 -17.5 -23.5 -4.8 52 57 A Y H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.891 113.7 49.5 -63.1 -40.9 -14.3 -21.5 -5.3 53 58 A L H X S+ 0 0 57 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.923 109.8 50.3 -63.4 -45.8 -12.6 -24.7 -6.6 54 59 A S H <>S+ 0 0 48 -4,-2.1 5,-2.7 2,-0.2 -2,-0.2 0.917 113.8 45.6 -55.3 -47.2 -15.6 -25.4 -8.9 55 60 A M H ><5S+ 0 0 3 -4,-2.4 3,-1.9 3,-0.2 -2,-0.2 0.905 108.4 56.1 -66.7 -41.4 -15.4 -21.9 -10.3 56 61 A L H 3<5S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.909 107.5 50.6 -52.5 -44.2 -11.6 -22.1 -10.6 57 62 A L T 3<5S- 0 0 124 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.303 129.0 -97.0 -81.6 6.5 -12.1 -25.2 -12.8 58 63 A G T < 5S+ 0 0 55 -3,-1.9 3,-0.3 1,-0.3 -3,-0.2 0.582 83.6 121.8 94.1 11.1 -14.6 -23.4 -15.0 59 64 A Y < + 0 0 166 -5,-2.7 -1,-0.3 1,-0.2 17,-0.1 -0.553 54.2 41.3 -98.9 169.7 -17.9 -24.4 -13.5 60 65 A G S S+ 0 0 8 1,-0.2 16,-1.7 -2,-0.2 15,-1.1 0.715 87.0 117.2 66.9 24.3 -20.7 -22.3 -12.0 61 66 A L E +A 74 0A 47 -3,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.975 35.1 168.2-124.7 136.1 -20.4 -19.7 -14.8 62 67 A T E -A 73 0A 55 11,-2.3 11,-3.1 -2,-0.4 2,-0.5 -0.938 33.3-117.1-140.6 161.1 -23.1 -18.8 -17.3 63 68 A M E -A 72 0A 85 -2,-0.3 7,-0.0 9,-0.2 -2,-0.0 -0.884 26.7-168.6-101.0 131.0 -23.7 -16.1 -19.9 64 69 A V E -A 71 0A 7 7,-2.9 7,-2.2 -2,-0.5 2,-0.5 -0.983 17.0-135.7-120.6 121.3 -26.7 -13.9 -19.4 65 70 A P E +A 70 0A 51 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.643 45.2 135.6 -75.8 123.7 -27.9 -11.5 -22.2 66 71 A F E > +A 69 0A 11 3,-2.2 3,-1.1 -2,-0.5 59,-0.1 -0.918 58.1 20.9-161.6 151.1 -28.8 -8.0 -20.9 67 72 A G T 3 S- 0 0 57 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.728 131.0 -59.2 63.6 22.9 -28.1 -4.4 -22.0 68 73 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.528 118.2 86.2 88.5 9.9 -27.5 -5.7 -25.6 69 74 A E E < S-A 66 0A 132 -3,-1.1 -3,-2.2 -5,-0.1 2,-0.6 -0.889 80.8-107.7-137.5 163.8 -24.6 -8.0 -24.6 70 75 A Q E -A 65 0A 116 -2,-0.3 -7,-0.0 -5,-0.2 -3,-0.0 -0.882 42.7-163.8 -91.7 115.9 -23.7 -11.5 -23.4 71 76 A N E -A 64 0A 25 -7,-2.2 -7,-2.9 -2,-0.6 2,-0.3 -0.904 17.0-126.9-112.4 128.8 -22.5 -11.1 -19.8 72 77 A P E -A 63 0A 27 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.541 29.6-175.8 -75.3 131.6 -20.6 -13.6 -17.8 73 78 A I E -A 62 0A 0 -11,-3.1 -11,-2.3 -2,-0.3 2,-1.1 -0.988 22.3-144.9-131.5 121.2 -22.2 -14.4 -14.4 74 79 A Y E > +A 61 0A 7 -2,-0.4 3,-0.6 -13,-0.2 -13,-0.3 -0.740 23.2 172.4 -85.2 98.8 -20.8 -16.7 -11.7 75 80 A W T >> + 0 0 112 -15,-1.1 3,-1.5 -2,-1.1 4,-0.9 0.693 65.4 79.6 -80.8 -17.8 -23.9 -18.4 -10.3 76 81 A A H 3> S+ 0 0 4 -16,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.780 80.2 69.2 -60.4 -26.8 -21.9 -20.8 -8.1 77 82 A R H <> S+ 0 0 3 -3,-0.6 4,-2.7 -17,-0.3 -1,-0.3 0.859 96.5 52.6 -56.3 -37.0 -21.4 -17.9 -5.6 78 83 A Y H <> S+ 0 0 6 -3,-1.5 4,-2.6 -4,-0.2 -1,-0.2 0.856 104.0 55.4 -74.6 -30.4 -25.1 -18.2 -4.7 79 84 A A H X S+ 0 0 27 -4,-0.9 4,-0.7 2,-0.2 -1,-0.2 0.881 112.1 44.1 -64.4 -39.9 -24.8 -21.9 -4.1 80 85 A D H >X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 3,-1.2 0.982 116.9 45.4 -63.2 -58.2 -22.0 -21.1 -1.5 81 86 A W H 3X S+ 0 0 18 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.795 100.0 67.9 -63.7 -30.8 -23.9 -18.2 0.0 82 87 A L H 3< S+ 0 0 75 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.872 117.5 24.8 -55.3 -39.3 -27.2 -20.0 0.3 83 88 A F H S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.847 111.2 56.4 -66.9 -28.0 -27.4 -18.8 7.5 87 92 A L H X S+ 0 0 33 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.920 107.1 48.7 -64.8 -44.0 -24.5 -20.9 9.1 88 93 A L H X S+ 0 0 4 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.921 111.1 49.3 -59.8 -45.8 -22.8 -17.6 10.1 89 94 A L H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.871 107.3 55.7 -60.6 -39.5 -26.0 -16.2 11.5 90 95 A L H X S+ 0 0 51 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.905 103.3 55.0 -58.3 -43.2 -26.5 -19.4 13.5 91 96 A D H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.936 112.1 44.0 -53.0 -47.7 -23.1 -18.9 15.0 92 97 A L H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.929 112.9 50.6 -65.0 -45.0 -24.2 -15.4 16.2 93 98 A A H <>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 4,-0.4 0.862 110.2 50.5 -61.3 -37.1 -27.6 -16.7 17.4 94 99 A L H ><5S+ 0 0 62 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.880 105.1 56.5 -69.8 -38.2 -26.0 -19.4 19.4 95 100 A L H 3<5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.8 35.2 -59.6 -36.6 -23.6 -17.0 21.1 96 101 A V T 3<5S- 0 0 1 -4,-1.5 -1,-0.2 70,-0.1 -2,-0.2 0.318 107.2-118.5-104.4 8.1 -26.4 -14.9 22.4 97 102 A D T < 5 - 0 0 107 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.935 44.7-168.3 55.7 47.1 -29.0 -17.6 23.0 98 103 A A < - 0 0 16 -5,-2.7 -1,-0.1 -6,-0.1 2,-0.1 -0.296 26.8 -91.9 -65.7 156.4 -31.4 -16.1 20.5 99 104 A D >> - 0 0 88 1,-0.1 4,-1.8 4,-0.0 3,-0.6 -0.360 28.0-121.2 -70.7 148.5 -35.1 -17.3 20.3 100 105 A Q H 3> S+ 0 0 175 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.863 113.8 54.5 -56.8 -41.1 -35.9 -20.1 18.0 101 106 A G H 3> S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.809 106.1 52.9 -64.7 -31.8 -38.5 -18.0 16.2 102 107 A T H <> S+ 0 0 41 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.903 108.9 49.1 -67.5 -42.3 -35.8 -15.3 15.6 103 108 A I H X S+ 0 0 44 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.933 111.3 49.7 -64.9 -43.9 -33.5 -17.9 14.0 104 109 A L H X S+ 0 0 133 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.926 112.0 48.0 -60.2 -44.0 -36.3 -19.1 11.8 105 110 A A H X S+ 0 0 40 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.904 113.3 47.3 -63.2 -44.1 -37.2 -15.6 10.6 106 111 A L H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.891 111.8 49.7 -64.1 -41.1 -33.5 -14.8 9.9 107 112 A V H X S+ 0 0 60 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.919 112.1 48.9 -67.7 -40.8 -33.0 -18.0 8.0 108 113 A G H X S+ 0 0 40 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.925 112.7 47.0 -58.4 -48.0 -36.1 -17.3 5.9 109 114 A A H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.885 110.7 53.7 -60.6 -41.0 -35.0 -13.7 5.2 110 115 A D H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.910 107.3 49.6 -61.8 -45.8 -31.5 -15.1 4.3 111 116 A G H X S+ 0 0 31 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.898 111.7 49.6 -58.4 -42.9 -33.0 -17.5 1.8 112 117 A I H X S+ 0 0 94 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.930 110.3 51.3 -59.2 -44.7 -35.0 -14.7 0.3 113 118 A M H X S+ 0 0 17 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.935 116.9 37.7 -59.9 -50.3 -31.8 -12.5 0.1 114 119 A I H X S+ 0 0 12 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.926 117.8 50.0 -69.0 -45.6 -29.8 -15.2 -1.7 115 120 A G H X S+ 0 0 31 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.915 114.4 42.7 -60.7 -47.4 -32.7 -16.5 -3.9 116 121 A T H X S+ 0 0 18 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.860 111.6 56.3 -71.4 -32.2 -33.7 -13.0 -5.1 117 122 A G H X S+ 0 0 5 -4,-1.7 4,-2.6 -5,-0.4 -2,-0.2 0.938 110.6 45.3 -59.1 -45.1 -30.1 -12.1 -5.6 118 123 A L H X S+ 0 0 47 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.918 111.4 50.1 -66.7 -42.4 -29.7 -15.1 -7.9 119 124 A V H >X S+ 0 0 62 -4,-2.4 4,-0.7 1,-0.2 3,-0.6 0.940 112.2 50.6 -60.5 -46.9 -32.9 -14.4 -9.8 120 125 A G H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.935 107.6 52.0 -47.9 -53.6 -31.5 -10.8 -10.2 121 126 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.736 115.3 42.3 -60.5 -25.1 -28.2 -12.1 -11.5 122 127 A L H << S+ 0 0 73 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.423 85.0 119.0-102.0 -1.1 -30.0 -14.3 -14.1 123 128 A T << - 0 0 23 -3,-1.3 6,-0.1 -4,-0.7 -59,-0.0 -0.439 49.3-157.4 -80.6 137.1 -32.7 -11.8 -15.3 124 129 A K S S+ 0 0 153 -2,-0.2 2,-0.7 -58,-0.1 -57,-0.3 0.605 73.5 79.7 -93.5 -12.9 -32.6 -10.8 -19.0 125 130 A V S >> S- 0 0 70 1,-0.2 4,-1.3 -59,-0.1 3,-0.5 -0.888 76.1-145.3 -98.0 115.4 -34.4 -7.4 -18.7 126 131 A Y H >> S+ 0 0 82 -2,-0.7 4,-0.8 1,-0.3 3,-0.7 0.877 94.4 47.8 -54.4 -49.9 -31.7 -4.9 -17.5 127 132 A S H >> S+ 0 0 74 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.865 108.5 55.2 -59.5 -38.6 -34.1 -2.8 -15.4 128 133 A Y H <> S+ 0 0 137 -3,-0.5 4,-1.8 1,-0.3 -1,-0.2 0.733 92.7 70.4 -71.0 -25.6 -35.7 -5.8 -13.7 129 134 A R H S+ 0 0 146 -4,-2.2 4,-3.4 -5,-0.2 5,-0.7 0.949 112.9 41.8 -60.8 -50.0 -31.2 -4.8 11.8 146 151 A V H <>S+ 0 0 21 -4,-2.3 5,-2.4 1,-0.2 6,-0.3 0.906 116.0 48.7 -65.6 -43.4 -32.1 -7.9 13.8 147 152 A A H <5S+ 0 0 1 -4,-2.8 5,-0.3 3,-0.2 -1,-0.2 0.844 119.7 40.3 -65.4 -31.8 -28.4 -8.9 14.2 148 153 A F H <5S+ 0 0 85 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.952 132.3 18.5 -82.7 -55.1 -27.6 -5.4 15.3 149 154 A F T X5S+ 0 0 113 -4,-3.4 4,-1.9 -5,-0.2 -3,-0.2 0.958 130.9 39.4 -82.1 -53.1 -30.5 -4.4 17.5 150 155 A G H > S+ 0 0 25 -4,-0.4 4,-1.5 -5,-0.3 -1,-0.2 0.925 107.0 53.3 -60.8 -41.3 -27.2 -7.1 20.9 153 158 A S H < S+ 0 0 86 -4,-1.9 3,-0.5 1,-0.2 4,-0.3 0.936 111.9 44.9 -55.5 -47.4 -30.2 -6.9 23.3 154 159 A K H >< S+ 0 0 76 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.881 107.4 59.1 -62.3 -41.3 -29.9 -10.7 23.8 155 160 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.782 90.5 72.1 -60.2 -26.8 -26.1 -10.4 24.3 156 161 A E T 3< S+ 0 0 110 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.685 94.0 53.7 -65.6 -16.3 -26.7 -8.0 27.2 157 162 A S T < S+ 0 0 111 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.451 97.0 86.2 -93.2 -4.1 -27.9 -11.0 29.3 158 163 A M S < S- 0 0 50 -3,-1.9 -62,-0.1 -4,-0.2 -63,-0.0 -0.463 96.1 -81.8 -90.5 165.4 -24.7 -13.0 28.6 159 164 A R >> - 0 0 119 -2,-0.1 4,-2.6 1,-0.1 3,-1.0 -0.406 48.6-109.5 -64.5 146.6 -21.4 -12.8 30.6 160 165 A P H 3> S+ 0 0 111 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.778 117.2 56.2 -50.0 -35.2 -19.3 -9.8 29.4 161 166 A E H 3> S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 62,-0.2 0.888 110.8 43.9 -70.1 -34.4 -16.7 -12.0 27.6 162 167 A V H <> S+ 0 0 7 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.940 115.1 49.4 -69.5 -47.2 -19.4 -13.7 25.5 163 168 A A H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.906 110.9 50.6 -56.6 -44.2 -21.0 -10.3 24.9 164 169 A S H X S+ 0 0 69 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.909 111.5 46.2 -61.1 -45.8 -17.6 -8.8 23.9 165 170 A T H X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.945 112.3 52.4 -66.3 -42.4 -16.8 -11.6 21.4 166 171 A F H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.919 107.0 52.3 -56.7 -45.7 -20.4 -11.3 20.0 167 172 A K H X S+ 0 0 79 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.889 108.6 49.5 -63.6 -38.7 -19.9 -7.6 19.4 168 173 A V H X S+ 0 0 68 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.939 115.4 43.8 -61.9 -49.9 -16.7 -8.0 17.5 169 174 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.872 112.6 52.5 -61.9 -40.5 -18.3 -10.7 15.3 170 175 A R H X S+ 0 0 32 -4,-3.3 4,-2.9 -5,-0.2 -1,-0.2 0.920 110.8 48.1 -59.4 -45.4 -21.5 -8.6 14.9 171 176 A N H X S+ 0 0 75 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.899 111.2 49.1 -66.2 -40.8 -19.4 -5.6 13.8 172 177 A V H X S+ 0 0 33 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.908 112.6 49.8 -61.6 -43.3 -17.4 -7.7 11.3 173 178 A T H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.943 111.4 47.1 -63.4 -49.9 -20.7 -9.0 9.9 174 179 A V H X S+ 0 0 42 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.953 115.9 44.5 -59.1 -50.6 -22.3 -5.6 9.5 175 180 A V H X S+ 0 0 101 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.941 120.6 38.6 -61.6 -49.4 -19.3 -4.1 7.8 176 181 A L H >X S+ 0 0 27 -4,-2.6 3,-1.0 -5,-0.2 4,-0.8 0.940 116.3 48.7 -70.0 -46.4 -18.6 -7.0 5.4 177 182 A W H >< S+ 0 0 14 -4,-2.8 3,-0.7 -5,-0.3 -1,-0.2 0.867 105.3 58.5 -64.4 -34.3 -22.2 -7.9 4.6 178 183 A S H 3X S+ 0 0 52 -4,-1.8 4,-0.5 -5,-0.4 -1,-0.3 0.732 100.4 59.3 -70.9 -17.4 -23.2 -4.3 3.8 179 184 A A H S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.847 112.2 50.6 -60.9 -32.0 -24.9 -5.3 -2.5 182 187 A V H X S+ 0 0 80 -4,-0.5 4,-2.0 -3,-0.4 5,-0.2 0.924 109.0 49.1 -71.4 -44.3 -22.6 -2.4 -3.5 183 188 A V H X S+ 0 0 13 -4,-2.4 4,-1.6 1,-0.2 7,-0.2 0.932 113.6 48.3 -59.0 -41.3 -20.1 -4.7 -5.2 184 189 A W H < S+ 0 0 12 -4,-2.3 6,-0.6 -5,-0.2 5,-0.2 0.943 110.6 51.2 -62.7 -46.8 -23.1 -6.4 -7.1 185 190 A L H < S+ 0 0 57 -4,-2.4 6,-3.3 1,-0.2 -1,-0.2 0.859 119.7 33.5 -58.3 -40.8 -24.5 -3.0 -8.1 186 191 A I H < S+ 0 0 56 -4,-2.0 8,-2.5 4,-0.2 7,-1.5 0.596 114.0 68.3 -96.4 -11.3 -21.3 -1.7 -9.6 187 192 A G S ><>S- 0 0 0 -4,-1.6 5,-2.7 -5,-0.2 3,-1.4 0.045 106.2 -57.9 -96.7-158.1 -19.9 -5.0 -10.9 188 193 A S T 3 5S+ 0 0 15 1,-0.3 -4,-0.1 6,-0.2 8,-0.1 0.726 129.4 50.3 -56.4 -33.0 -20.6 -7.6 -13.6 189 194 A E T 3 5S+ 0 0 1 -5,-0.2 -1,-0.3 -6,-0.2 -4,-0.1 0.687 124.7 18.0 -81.4 -20.8 -24.1 -8.4 -12.4 190 195 A G T < 5S- 0 0 0 -3,-1.4 -4,-0.2 -6,-0.6 -5,-0.2 0.447 131.0 -4.3-117.8-110.3 -25.2 -4.7 -12.3 191 196 A A T 5S- 0 0 45 -6,-3.3 -5,-0.2 -7,-0.2 -3,-0.2 0.662 76.8-134.2 -72.3 -18.1 -23.8 -1.6 -13.8 192 197 A G < + 0 0 51 -5,-2.7 -5,-0.2 -7,-0.1 -4,-0.2 0.755 67.7 123.9 69.7 25.8 -20.7 -3.3 -15.3 193 198 A I + 0 0 126 -7,-1.5 -6,-0.2 -6,-0.3 -7,-0.1 0.923 62.4 55.9 -80.1 -49.8 -18.4 -0.5 -14.1 194 199 A V S S- 0 0 28 -8,-2.5 -6,-0.2 -11,-0.2 -1,-0.1 -0.764 95.5-120.6 -89.2 122.2 -16.0 -2.7 -12.1 195 200 A P > - 0 0 72 0, 0.0 4,-2.7 0, 0.0 3,-0.4 -0.245 22.5-108.3 -62.7 156.2 -14.5 -5.5 -14.4 196 201 A L H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 116.4 56.9 -56.6 -39.7 -15.0 -9.1 -13.5 197 202 A N H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 112.8 40.1 -58.6 -45.1 -11.4 -9.6 -12.5 198 203 A I H > S+ 0 0 65 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.893 113.7 54.2 -71.9 -40.1 -11.5 -6.8 -9.9 199 204 A E H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.896 107.3 51.4 -57.3 -41.4 -15.0 -7.8 -8.8 200 205 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.907 108.8 51.4 -64.4 -43.0 -13.7 -11.3 -8.1 201 206 A L H X S+ 0 0 44 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.924 111.0 48.5 -52.4 -51.3 -10.9 -9.9 -6.1 202 207 A L H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.942 112.5 45.9 -59.3 -50.7 -13.4 -7.9 -4.0 203 208 A F H X S+ 0 0 1 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.861 111.6 54.4 -61.6 -33.7 -15.7 -10.8 -3.4 204 209 A M H X S+ 0 0 7 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.953 109.9 45.3 -66.0 -45.7 -12.6 -13.0 -2.5 205 210 A V H X S+ 0 0 73 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.937 117.5 45.2 -61.5 -46.7 -11.4 -10.5 0.1 206 211 A L H X S+ 0 0 19 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.940 115.1 47.3 -60.5 -49.5 -15.0 -10.1 1.5 207 212 A D H X S+ 0 0 1 -4,-3.2 4,-1.4 2,-0.2 5,-0.4 0.946 113.5 46.3 -61.1 -52.5 -15.6 -13.9 1.5 208 213 A V H X>S+ 0 0 23 -4,-2.9 5,-2.1 -5,-0.2 4,-1.4 0.927 116.5 45.4 -57.2 -46.1 -12.3 -14.8 3.2 209 214 A S H <>S+ 0 0 45 -4,-2.2 5,-1.4 -5,-0.3 -1,-0.2 0.891 114.3 48.6 -62.0 -39.6 -12.7 -12.1 5.9 210 215 A A H <5S+ 0 0 4 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.640 127.5 23.7 -77.9 -19.6 -16.4 -13.1 6.5 211 216 A K H X5S+ 0 0 3 -4,-1.4 4,-2.1 -3,-0.3 -3,-0.2 0.774 134.6 26.3-111.9 -61.7 -15.7 -16.8 6.8 212 217 A V H X5S+ 0 0 19 -4,-1.4 4,-2.6 -5,-0.4 -3,-0.2 0.900 126.6 46.6 -75.4 -41.7 -12.1 -17.4 7.8 213 218 A G H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.3 0.946 115.3 48.9 -67.1 -48.5 -14.9 -16.9 17.2 219 224 A L H 3< S+ 0 0 12 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.640 108.3 53.1 -77.7 -12.3 -12.9 -20.1 17.5 220 225 A R T 3< S+ 0 0 200 -4,-1.3 -1,-0.3 -3,-0.2 2,-0.2 0.474 93.1 98.3 -92.4 -4.2 -10.0 -18.5 19.5 221 226 A S S X S- 0 0 7 -3,-1.5 3,-0.8 -4,-0.4 4,-0.1 -0.511 73.3-138.0 -86.1 151.7 -12.4 -17.0 22.1 222 227 A R G > S+ 0 0 150 1,-0.2 3,-1.6 -2,-0.2 -1,-0.1 0.614 93.0 87.2 -73.2 -13.3 -13.3 -18.5 25.5 223 228 A A G 3 S+ 0 0 8 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.698 77.5 60.1 -62.4 -24.7 -16.9 -17.5 24.6 224 229 A I G < 0 0 2 -3,-0.8 -1,-0.3 -6,-0.3 -187,-0.2 0.587 360.0 360.0 -81.8 -10.5 -17.6 -20.8 22.8 225 230 A F < 0 0 110 -3,-1.6 -3,-0.0 -192,-0.1 0, 0.0 -0.544 360.0 360.0 -84.6 360.0 -16.9 -23.0 25.9